ethyl 4-[[5-(6-nitro-2-oxidanylidene-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-(6-nitro-2-oxidanylidene-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate Openeye Name: ethyl 4-[[5-(6-nitro-2-oxo-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate CAS Name: 4-[[5-(6-nitro-2-oxo-1-benzopyran-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(6-nitro-2-oxochromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoate Traditional Name: 4-[[5-(2-keto-6-nitro-chromen-3-yl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid ethyl ester Formula: C20H14N4O6S MolecularWeight: 438.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H14N4O6S/c1-2-29-18(25)11-3-5-13(6-4-11)21-20-23-22-17(31-20)15-10-12-9-14(24(27)28)7-8-16(12)30-19(15)26/h3-10H,2H2,1H3,(H,21,23)